2-(4-aminopentylamino)propanoic acid

C8H18N2O2 — CID 142180855

IUPAC2-(4-aminopentylamino)propanoic acid
SMILESCC(N)CCCNC(C)C(=O)O
InChIInChI=1S/C8H18N2O2/c1-6(9)4-3-5-10-7(2)8(11)12/h6-7,10H,3-5,9H2,1-2H3,(H,11,12)
InChIKeyRCTQJVHWWIKGBS-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.18
Rot. Bonds6

About 2-(4-aminopentylamino)propanoic acid

2-(4-aminopentylamino)propanoic acid (PubChem CID 142180855) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-(4-aminopentylamino)propanoic acid.

Molecular Properties

Compound Name2-(4-aminopentylamino)propanoic acid
PubChem CID142180855
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2-(4-aminopentylamino)propanoic acid
SMILESCC(N)CCCNC(C)C(=O)O
InChIInChI=1S/C8H18N2O2/c1-6(9)4-3-5-10-7(2)8(11)12/h6-7,10H,3-5,9H2,1-2H3,(H,11,12)
InChIKeyRCTQJVHWWIKGBS-UHFFFAOYSA-N
XLogP0.18
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(1-carboxyethylamino)pentanoic acid
CID 22057595
N"-(4-aminopentyl)methanetriamine
CID 89061726
(2S)-2-(4-aminobutylamino)propanoic acid
CID 45082347
2-(pentylamino)propanoic acid
CID 43467235
2-(dodecylamino)propanoic acid;hydrazine
CID 174949579
sodium;hydride;methane;2-(pentylamino)propanoic acid
CID 174916781
2-(3-methylbutylamino)propanoic acid
CID 16769163
(2R)-2-(3-methylbutylamino)propanoic acid
CID 20848021
2-(hexadecylamino)propanoic acid
CID 15919803
(2S)-2-(octadecylamino)propanoic acid
CID 54367434
2-(2-aminoethylamino)propanoic acid;hydrochloride
CID 175693508
CID 162321120
CID 162321120

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopentylamino)propanoic acid?
The IUPAC name of 2-(4-aminopentylamino)propanoic acid (CID 142180855) is 2-(4-aminopentylamino)propanoic acid.
What is the SMILES notation for 2-(4-aminopentylamino)propanoic acid?
The canonical SMILES for 2-(4-aminopentylamino)propanoic acid is CC(N)CCCNC(C)C(=O)O.
What is the InChIKey of 2-(4-aminopentylamino)propanoic acid?
The InChIKey is RCTQJVHWWIKGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6(9)4-3-5-10-7(2)8(11)12/h6-7,10H,3-5,9H2,1-2H3,(H,11,12).
What are the key properties of 2-(4-aminopentylamino)propanoic acid?
2-(4-aminopentylamino)propanoic acid has a molecular weight of 174.24 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopentylamino)propanoic acid is sourced from PubChem (CID 142180855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).